General Information of the Compound
| Compound ID |
CP0427483
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| Compound Name |
2-[4-({[3-(4-tert-butylphenyl)-1,2,4-thiadiazol-5-yl]methyl}sulfanyl)-2-methylphenoxy]-2-methylpropanoic acid
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| Structure |
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| Formula |
C24H28N2O3S2
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| Molecular Weight |
456.633
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| Canonical SMILES |
Cc1cc(SCc2nc(ns2)-c2ccc(cc2)C(C)(C)C)ccc1OC(C)(C)C(O)=O
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| InChI |
InChI=1S/C24H28N2O3S2/c1-15-13-18(11-12-19(15)29-24(5,6)22(27)28)30-14-20-25-21(26-31-20)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,27,28)
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| InChIKey |
RZGXJNCOBNXAPV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma